Crystallography Open Database

Information card for entry 7113018

Preview

Coordinates	7113018.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H9 F3 O3
Calculated formula	C13 H9 F3 O3
Title of publication	N-heterocyclic carbene catalysed asymmetric cross-benzoin reactions of heteroaromatic aldehydes with trifluoromethyl ketones.
Authors of publication	Enders, Dieter; Grossmann, André; Fronert, Jeanne; Raabe, Gerhard
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2010
Journal volume	46
Journal issue	34
Pages of publication	6282 - 6284
a	7.703 ± 0.0002 Å
b	7.9309 ± 0.0002 Å
c	20.122 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1229.29 ± 0.05 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.025
Residual factor for significantly intense reflections	0.025
Weighted residual factors for all reflections	0.032
Weighted residual factors for all reflections included in the refinement	0.032
Goodness-of-fit parameter for all reflections	1.022
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7113018.cif
112207	2014-04-30	cif/ Adding structures of 7113018 via cif-deposit CGI script.	7113018.cif